C21 H23 Cl N2 O4
A1FFR
3-chloranyl-~{N}-(3,4-dimethoxyphenyl)-4-[[(1~{R},2~{S})-2-methyl-3-oxidanylidene-cyclopentyl]amino]benzamide
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
3-chloranyl-~{N}-(3,4-dimethoxyphenyl)-4-[[(1~{R},2~{S})-2-m...Show more
Formula
Standard InChI
InChI=1S/C21H23ClN2O4/c1-12-16(7-8-18(12)25)24-17-6-4-13(10-15(17)22)21(26)23-14-5-9-19(27-2)20(11-14)28-3/h4-6,9-12,16,...Show more
Standard InChI Key
QGLHLBLDHAYKOJ-BLLLJJGKSA-N
SMILES
C[C@H]1[C@@H](CCC1=O)Nc2ccc(cc2Cl)C(=O)Nc3ccc(c(c3)OC)OC
Source OpenEye
First observed in
Overall view, and highlighted
scaffolds and fragments ![help icon]()
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
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